Gohda Yoshihiro 合田義弘

… Alternative Names

GOHDA Yoshihiro 合田義弘

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Researcher Number	50506730
Other IDs	https://orcid.org/0000-0002-6047-027X
Affiliation (Current)	2025: 東京科学大学, 物質理工学院, 准教授
Affiliation (based on the past Project Information) *help	2024: 東京工業大学, 物質理工学院, 准教授 2017 – 2020: 東京工業大学, 物質理工学院, 准教授 2014: 東京工業大学, 総合理工学研究科(研究院), 准教授 2014: 東京工業大学, 大学院総合理工学研究科, 准教授 2012 – 2013: 東京大学, 理学(系)研究科(研究院), 助教 2009 – 2012: The University of Tokyo, 大学院・理学系研究科, 助教
Review Section/Research Field	Principal Investigator Basic Section 26010:Metallic material properties-related / Nanostructural physics / Science and Engineering / Nanomaterials/Nanobioscience Except Principal Investigator Science and Engineering
Keywords	Principal Investigator 物性理論 / 磁性 / 格子振動 / 相平衡 / 電子論 / ナノ構造物性 / 界面マルチフェロイクス / スピン・軌道相互作用 / 交換相互作用 / 界面電気磁気結合 … More / 界面磁性 / 第一原理計算 / 格子欠陥 / 表面・界面物性 / ナノ界面 / ナノ材料 / ナノ表面・界面 … More Except Principal Investigator 分子動力学法 / 第一原理計算 / モデリング / 原子間力モデル / 電極反応 / 非平衡ダイナミクス / 熱伝導 / 第一原理分子動力学法 Less

Electron theory of phase equilibria considering lattice vibrations in disorder phasesPrincipal Investigator
- Principal Investigator
  
  合田義弘
- Project Period (FY)
  2024 – 2027
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26010:Metallic material properties-related
- Research Institution
  Tokyo Institute of Technology
Electron theory on magnetic elements and heavy elements in nanostructuresPrincipal Investigator
- Principal Investigator
  
  GOHDA Yoshihiro
- Project Period (FY)
  2017 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Nanostructural physics
- Research Institution
  Tokyo Institute of Technology
磁性金属におけるハイブリッド密度汎関数理論の新展開Principal Investigator
- Principal Investigator
  
  合田義弘
- Project Period (FY)
  2013 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Tokyo Institute of Technology
  The University of Tokyo
Studies on Structure Sampling and Non-Equilibrium Dynamics Using Ab-Initio Molecular Dynamics Methods
- Principal Investigator
  
  TSUNEYUKI Shinji
- Project Period (FY)
  2010 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
Control of spin properties at nitride-semiconductor interfacesPrincipal Investigator
- Principal Investigator
  
  GOHDA Yoshihiro
- Project Period (FY)
  2009 – 2012
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Nanomaterials/Nanobioscience
- Research Institution
  The University of Tokyo

All 2021 2020 2019 2018 2017 2015 2014 2013 2012 2011 2010 2009 Other

All Journal Article Presentation Book

[Book] 次世代永久磁石の開発最前線「第一原理計算による永久磁石材料の局所磁性」2019
- Author(s)
  合田義弘
- Total Pages
  9
- Publisher
  NTS
- ISBN
- Data Source
  KAKENHI-PROJECT-17K04978
[Book] シミュレーション辞典、項目「GaN中不純物のシミュレーション」2012
- Author(s)
  合田義弘(分担執筆)
- Total Pages
  1
- Publisher
  コロナ社
- Data Source
  KAKENHI-PROJECT-21710102
[Book] シミュレーション辞典・項目「GaN 中不純物のシミュレーション」2012
- Author(s)
  合田義弘(分担執筆)
- Publisher
  コロナ社
- Data Source
  KAKENHI-PROJECT-21710102
[Book] シミュレーション辞典、項目(「GaN中不純物のシミュレーション」)2011
- Author(s)
  合田義弘
- Total Pages
  1
- Publisher
  コロナ社(印刷中)
- Data Source
  KAKENHI-PROJECT-21710102
[Journal Article] First-principles determination of intergranular atomic arrangements and magnetic properties in rare-earth permanent magnets2021
- Author(s)
  Gohda Yoshihiro
- Journal Title
  
  Science and Technology of Advanced Materials
  
  Volume: 22 Issue: 1 Pages: 113-123
- DOI
  10.1080/14686996.2021.1877092
- NAID
  130008145808
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] First-principles calculations on high-temperature desorption loss from iridium2020
- Author(s)
  Seo Insung、Yokota Shunsuke、Imai Yousuke、Gohda Yoshihiro
- Journal Title
  
  Computational Materials Science
  
  Volume: 184 Pages: 109897-109897
- DOI
  10.1016/j.commatsci.2020.109897
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] First-principles study on surface stability and interface magnetic properties of SmFe122020
- Author(s)
  Ainai Yuta、Shiozawa Tomoharu、Tatetsu Yasutomi、Gohda Yoshihiro
- Journal Title
  
  Applied Physics Express
  
  Volume: 13 Issue: 4 Pages: 045502-045502
- DOI
  10.35848/1882-0786/ab7bca
- NAID
  120006844044
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] First-principles study of the adsorption of 3d transition metals on BaO- and TiO2-terminated cubic-phase BaTiO3(001) surfaces2020
- Author(s)
  Costa-Amaral Rafael、Gohda Yoshihiro
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 152 Issue: 20 Pages: 204701-204701
- DOI
  10.1063/5.0008130
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] First-Principles Study of Magnetism-Dependent Phonons Governed by Exchange Ligand Field2020
- Author(s)
  Tanaka Tomonori、Gohda Yoshihiro
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 89 Issue: 9 Pages: 093705-093705
- DOI
  10.7566/jpsj.89.093705
- NAID
  40022344741
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] First-principles study on magnetism of a crystalline grain-boundary phase in Nd?Fe?B permanent magnets2020
- Author(s)
  Ainai Yuta、Kou Sonju、Tatetsu Yasutomi、Gohda Yoshihiro
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 59 Issue: 6 Pages: 060904-060904
- DOI
  10.35848/1347-4065/ab9402
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] Prediction of the Curie temperature considering the dependence of the phonon free energy on magnetic states2020
- Author(s)
  Tanaka Tomonori、Gohda Yoshihiro
- Journal Title
  
  npj Computational Materials
  
  Volume: 6 Issue: 1 Pages: 184-184
- DOI
  10.1038/s41524-020-00458-5
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] First-principles study of crystalline Nd-Fe alloys2020
- Author(s)
  Ainai Yuta、Tatetsu Yasutomi、TERASAWA Asako、GOHDA Yoshihiro
- Journal Title
  
  Applied Physics Express
  
  Volume: 13 Issue: 1 Pages: 017006-017006
- DOI
  10.7567/1882-0786/ab626e
- NAID
  120006844042
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] First-Principles Study of Magnetoelectric Coupling at Fe/BiFeO3(001) Interfaces2019
- Author(s)
  Fujita Kazuhiro、Gohda Yoshihiro
- Journal Title
  
  Physical Review Applied
  
  Volume: 11 Issue: 2
- DOI
  10.1103/physrevapplied.11.024006
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] Enhancement of magnetoelectric coupling by insertion of Co atomic layer into Fe3Si/BaTiO3(001) interfaces identified by first-principles calculations2019
- Author(s)
  Hamazaki Yasunari、Gohda Yoshihiro
- Journal Title
  
  Journal of Applied Physics
  
  Volume: 126 Issue: 23
- DOI
  10.1063/1.5129312
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] Efficient Algorithm Based on Liechtenstein Method for Computing Exchange Coupling Constants Using Localized Basis Set2019
- Author(s)
  Terasawa Asako、Matsumoto Munehisa、Ozaki Taisuke、Gohda Yoshihiro
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 88 Issue: 11 Pages: 114706-114706
- DOI
  10.7566/jpsj.88.114706
- NAID
  40022062711
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] First-principles study on substitution effects in Nd2(Fe, X)14B2018
- Author(s)
  Tatetsu Yasutomi、Tsuneyuki Shinji、Gohda Yoshihiro
- Journal Title
  
  Materialia
  
  Volume: 4 Pages: 388-394
- DOI
  10.1016/j.mtla.2018.10.018
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] Role of typical elements in Nd2Fe14X (X=B, C, N, O, F)2018
- Author(s)
  Tatetsu Yasutomi、Harashima Yosuke、Miyake Takashi、Gohda Yoshihiro
- Journal Title
  
  Physical Review Materials
  
  Volume: 2 Issue: 7
- DOI
  10.1103/physrevmaterials.2.074410
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] Hidden order in amorphous structures: Extraction of nearest neighbor networks of amorphous Nd-Fe alloys with Gabriel graph analyses2018
- Author(s)
  Terasawa Asako、Gohda Yoshihiro
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 149 Issue: 15
- DOI
  10.1063/1.5045222
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] First-principles prediction of one-dimensional giant Rashba splittings in Bi-adsorbed In atomic chains2018
- Author(s)
  Tanaka Tomonori、Gohda Yoshihiro
- Journal Title
  
  Physical Review B
  
  Volume: 98 Issue: 24
- DOI
  10.1103/physrevb.98.241409
- NAID
  120006629922
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] Prediction of ferromagnetism in MnB and MnC on nonmagnetic transition-metal surfaces studied by first-principles calculations2017
- Author(s)
  S. Nakamura and Y. Gohda
- Journal Title
  
  Phys. Rev. B
  
  Volume: 96 Issue: 24
- DOI
  10.1103/physrevb.96.245416
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K04978
[Journal Article] Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study2015
- Author(s)
  T. Tadano, Y. Gohda, S. Tsuneyuki
- Journal Title
  
  Phys. Rev. Lett.
  
  Volume: 114 Issue: 9
- DOI
  10.1103/physrevlett.114.095501
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-22104006
[Journal Article] Improved tetrahedron method for the Brillouin-zone integration applicable to response functions2014
- Author(s)
  M. Kawamura, Y. Gohda, and S. Tsuneyuki
- Journal Title
  
  Phys. Rev.
  
  Volume: B89 Issue: 9 Pages: 94515-94515
- DOI
  10.1103/physrevb.89.094515
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104006
[Journal Article] Strain effects on the magnetic anisotropy of Y2Fe14B examined by first-principles calculations2014
- Author(s)
  Z. Torbatian, T. Ozaki, S. Tsuneyuki, and Y. Gohda
- Journal Title
  
  Appl. Phys. Lett.
  
  Volume: 104 Issue: 24 Pages: 242403-242403
- DOI
  10.1063/1.4883840
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PLANNED-22104005, KAKENHI-PUBLICLY-25104705
[Journal Article] Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations2014
- Author(s)
  T. Tadano, Y. Gohda, S. Tsuneyuki
- Journal Title
  
  J. Phys. Condens. Matter
  
  Volume: 26 Issue: 22 Pages: 225402-225402
- DOI
  10.1088/0953-8984/26/22/225402
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-22104006
[Journal Article] Optical conductivity of highly mismatched GaP alloys2013
- Author(s)
  Y. Gohda and S. Tsuneyuki,
- Journal Title
  
  Appl. Phys. Lett.
  
  Volume: 102 Pages: 023901-023901
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104006
[Journal Article] Ab initio molecular dynamics study of the Helmholtz layer formed on solid-liquid interfaces and its capacitance,2012
- Author(s)
  Y. Ando, Y. Gohda and S. Tsuneyuki,
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 556 Pages: 9-12
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104006
[Journal Article] 磁性元素が関与しない磁性?界面・点欠陥の役割を予測2012
- Author(s)
  合田義弘、押山淳、常行真司
- Journal Title
  
  日本物理学会誌
  
  Volume: 66 Pages: 836-840
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21710102
[Journal Article] Dependence of the Schottky barrier on the work function at metal/SiON/SiC(0001) interfaces identified by first-principles calculations2012
- Author(s)
  Y. Ando, Y. Gohda and S. Tsuneyuki,
- Journal Title
  
  Surf. Sci.
  
  Volume: 606 Pages: 1501-1506
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104006
[Journal Article] Structural phase transition of graphene caused by GaN epitaxy2012
- Author(s)
  Y. Gohda and S. Tsuneyuki
- Journal Title
  
  Appl. Phys. Lett
  
  Volume: 100 Issue: 5 Pages: 53111-53111
- DOI
  10.1063/1.3680100
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21710102, KAKENHI-PLANNED-22104006
[Journal Article] Optical conductivity of highly mismatched GaP alloys2012
- Author(s)
  合田義弘、常行真司
- Journal Title
  
  Appl. Phy. Lett.
  
  Volume: 102 Issue: 2
- DOI
  10.1063/1.4773526
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21710102
[Journal Article] 磁性元素が関与しない磁性?:界面・点欠陥の役割を予測2012
- Author(s)
  合田義弘、押山淳、常行真司
- Journal Title
  
  日本物理学会誌
  
  Volume: 66 Pages: 836-840
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104006
[Journal Article] First-principles calculations on spin polarization of vacancies in nitride semiconductors2012
- Author(s)
  Y.Gohda, A.Oshiyama
- Journal Title
  
  AIP Conf.Proc.
  
  Volume: 1399 Pages: 83-84
- DOI
  10.1063/1.3666268
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21710102, KAKENHI-PLANNED-22104006
[Journal Article] Tsuneyuki, Two-dimensional intrinsic ferromagnetism at nitride-boride interfaces2011
- Author(s)
  Y. Gohda and S
- Journal Title
  
  Phys. Rev.Lett
  
  Volume: 106 Issue: 4 Pages: 47201-47201
- DOI
  10.1103/physrevlett.106.047201
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21710102
[Journal Article] Two-dimensional intrinsic ferromagnetism at nitride-boride interfaces2011
- Author(s)
  Y.Gohda, S.Tsuneyuki
- Journal Title
  
  Phys.Rev.Lett.
  
  Volume: 106
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21710102
[Journal Article] Two-Dimensional Intrinsic Ferromagnetism at Nitride-Boride Interfaces2011
- Author(s)
  Y.Gohda, S.Tsuneyuki
- Journal Title
  
  Phys.Rev.Lett.
  
  Volume: 106
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104006
[Journal Article] First-principles calculations on spin polarization of vacancies in nitride semiconductors2011
- Author(s)
  Y.Gohda, A.Oshiyama
- Journal Title
  
  AIP Conf.Proc.
  
  Volume: (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21710102
[Journal Article] Stabilization Mechanism of Vacancies in Group-III Nitrides : Exchange Splitting and Electron Transfer2010
- Author(s)
  Y.Gohda, A.Oshiyama
- Journal Title
  
  J.Phys.Soc.Jpn.
  
  Volume: 79
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] "Tuning the magnetoelectric effect via metal substitution at ferromagnetic/ferroelectric interfaces"2021
- Author(s)
  Rafael Costa-Amaral and Yoshihiro Gohda
- Organizer
  日本物理学会第76回年年次大会（2021年）
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 第一原理計算を用いたNd2Fe14BとNd2Feジグザグ界面の磁気特性解析2021
- Author(s)
  高　成柱，合田義弘
- Organizer
  日本金属学会第168回講演大会（２０２１年春季）
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 磁気状態に依存するフォノンが時勢に及ぼす熱力学的フィードバック効果とその影響2021
- Author(s)
  田中　友規、合田　義弘
- Organizer
  PCoMSシンポジウム&計算物質科学スーパーコンピュータ共用事業報告会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 磁気状態に依存するフォノンが磁気的熱平衡状態へ及ぼす影響の第一原理的研究2021
- Author(s)
  田中　友規、合田　義弘
- Organizer
  日本物理学会第76回年次大会(2021年)
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Magnetism-dependent phonons and its effect on magnetic phase transition from first principles2021
- Author(s)
  T. Tanaka and Y. Gohda
- Organizer
  APS March Meeting 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] First-principles calculation of (Ni/Cu)PMN-PT(001) heterostructure2021
- Author(s)
  Amran Mahfudh Yatmeidhy、R. Costa-Amaral、合田義弘
- Organizer
  日本物理学会第76回年次大会 (2021年)
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Enhancement of magnetoelectric coupling by insertion of Co atomic layer into Fe3Si/BaTiO3(001) interfaces identified by first-principles calculations2020
- Author(s)
  Yasunari Hamazaki, Yoshihiro Gohda
- Organizer
  APS March Meeting 2020 (virtual)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] First-principles calculations on IrO3 desorbability at high temperatures2020
- Author(s)
  Insung Seo, Shunsuke Yokota, Yousuke Imai, Yoshihiro Gohda
- Organizer
  ACS Spring 2020 National Meeting (virtual)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] フォノン振動数の温度依存性に起因するキュリー温度の変化2020
- Author(s)
  田中友規, 合田義弘
- Organizer
  材料系ワークショップ
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] フォノン自由エネルギーの磁気秩序依存性によるキュリー温度の変化2020
- Author(s)
  田中友規, 合田義弘
- Organizer
  日本物理学会第75回年次大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 第一原理計算によるNd-Fe合金の構造同定2020
- Author(s)
  相内優太, 立津慶幸, 寺澤麻子, 合田義弘
- Organizer
  日本金属学会 2020年春期(第166回)講演大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] First-principles calculations on the surfaces and interfaces of SmFe122020
- Author(s)
  Tomoharu Shiozawa, Yuta Ainai, Y. Tatetsu, Y. Gohda
- Organizer
  APS March Meeting 2020 (virtual)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 第一原理計算によるSmFe12の表面の安定性と界面の磁気特性の解明2020
- Author(s)
  塩沢知春, 相内優太, 立津慶幸, 合田義弘
- Organizer
  日本金属学会 2020年春期(第166回)講演大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] The shift of the Curie temperature in bcc-Fe by phonon softening: first-principles phonon and Monte Carlo calculations2020
- Author(s)
  Tomonori Tanaka, Y. Gohda
- Organizer
  APS March Meeting 2020 (virtual)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Co2FeSi/BaTiO3界面における磁気的性質の解析2020
- Author(s)
  濱崎恭考, 合田義弘
- Organizer
  日本物理学会第75回年次大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 局在基底密度汎関数法による磁性金属の交換結合定数計算2020
- Author(s)
  寺澤麻子, 相内優太, 尾崎泰助, 合田義弘
- Organizer
  日本金属学会 2020年春期(第166回)講演大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] First-principles calculation of Pb(Mg1/3Nb2/3)O3-PbTiO3 (PMN-PT): a study of atomic arrangement models2020
- Author(s)
  Amran Mahfudh Yatmeidhy、合田義弘
- Organizer
  日本物理学会 2020年秋季大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 磁石材料組織の第一原理電子論による検討2020
- Author(s)
  合田義弘
- Organizer
  第10回材料系ワークショップ
- Invited
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] First-principles Study on Crystalline Nd-Fe alloys as Candidate Structures for Grain-Boundaries in Nd-Fe-B Sintered Magnets,2020
- Author(s)
  Yuta Ainai, Y. Tatetsu, A. Terasawa, Y. Gohda
- Organizer
  APS March Meeting 2020 (virtual)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 磁気モーメントの熱揺らぎを考慮したフォノン自由エネルギーの計算2019
- Author(s)
  田中友規, 合田義弘
- Organizer
  日本金属学会2019年秋季講演大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] IrO3 Desorbability of Iridium Alloys at High Temperatures from Thermodynamical Perspective2019
- Author(s)
  I. Seo, S. Yokota, Y. Imai, Y. Gohda
- Organizer
  ASIAN-22
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Evaluation of solid-solution strengthening of alloys2019
- Author(s)
  R. Teshima, S. Yokota, Y. Imai, Y. Gohda
- Organizer
  ASIAN-22
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] New spin filtering mechanism through atomic chains without magnetic field: first-principles study2019
- Author(s)
  Tomonori Tanaka, Yoshihiro Gohda
- Organizer
  APS March Meeting 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 密度汎関数理論に基づく強磁性Heusler合金/Co/BaTiO3(001)界面構造における電気磁気結合の評価2019
- Author(s)
  濱﨑恭考, 合田義弘
- Organizer
  日本金属学会2019年秋季講演大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Magnetism and structure of amorphous grain boundaries of permanent magnets: First principles study2019
- Author(s)
  Asako Terasawa, Yoshihiro Gohda
- Organizer
  JEMS 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 強磁性Heusler合金/BaTiO3(001)界面構造における電気磁気結合の第一原理的評価2019
- Author(s)
  濱﨑恭考, 合田義弘
- Organizer
  日本物理学会第74回年次大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] First-principles study of interface magnetism in materials structures of Nd-Fe-B sintered magnets2019
- Author(s)
  A. Terasawa, T. Shiozawa, Y. Gohda
- Organizer
  Materials Research Meeting 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 究極性能磁石の開発に向けた磁石材料組織の電子論による理論解析2019
- Author(s)
  合田義弘
- Organizer
  横浜国立大学物工談話会
- Invited
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] A First Principles Study of Magnetoelectric Coupling at Fe 3 Si/TM/BaTiO 3 (001) (TM = Sc to Cd) Interfaces2019
- Author(s)
  Rafael Costa-Amaral, Yoshihiro Gohda
- Organizer
  計算物質科学人材育成コンソーシアム（PCoMS）シンポジウム＆計算物質科学スーパーコンピュータ事業報告会 2019
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Using DFT to Investigate the Magnetoelectric Coupling at Fe3Si/Tm/BaTiO3 (001) (TM = Sc to Cd) Interfaces2019
- Author(s)
  R. Costa-Amaral, Y. Gohda
- Organizer
  横浜国立大学物工談話会
- Invited
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] First-principles study on structures of crystalline Nd-Fe alloys as candidates for grain-boundary phases in Nd-Fe-B sintered magnets2019
- Author(s)
  Y. Ainai, Y. Tatetsu, A. Terasawa, Y. Gohda
- Organizer
  ASIAN-22
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] First-principles study of magnetic properties of Nd-Fe alloys in Nd-Fe-B magnets2019
- Author(s)
  Yuta Ainai, Y. Gohda
- Organizer
  Materials Research Meeting 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Theoretical Sm-Fe-Cu ternary phase diagram for subphase-exploration of SmFe12permanent magnets2019
- Author(s)
  Sonju KOU, Taichi ABE, Yoshihiro GOHDA
- Organizer
  Materials Research Meeting 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] First-principles study of IrO3 desorption from iridium surfaces and temperature dependence2019
- Author(s)
  Insung Seo, Yoshihiro Gohda
- Organizer
  Nano Korea 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Forecasting of IrO3 Desorbability from Iridium Alloys by First-principles Study2019
- Author(s)
  I. Seo, S. Yokota, Y. Imai, Y. Gohda
- Organizer
  Materials Research Meeting 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Magnetoelectric Couplings at Fe/BiFeO3(001) Heterointerfaces Studied by First-principles Calculations2018
- Author(s)
  K. Fujita and Y. Gohda
- Organizer
  APS March Meeting
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 磁石材料組織界面における局所磁気特性の電子論による解明2018
- Author(s)
  合田義弘
- Organizer
  日本金属学会2018年春期(第162回)講演大会
- Invited
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 第一原理計算による一次元 Rashba 効果を示す新たな表面系の探索2018
- Author(s)
  田中友規, 合田義弘
- Organizer
  物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の今と未来」
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Ab-initio study on Ga-added Nd-Fe-B sintered magnets2018
- Author(s)
  Yasutomi Tatetsu, Yoshihiro Gohda
- Organizer
  REPM2018
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Surface-science studies by OpenMX2018
- Author(s)
  Yoshihiro Gohda
- Organizer
  ISS2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Bi原子吸着したIn原子鎖における新奇1次元Rashba効果の第一原理計算2018
- Author(s)
  田中友規, 合田義弘
- Organizer
  第28回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Gabriel Graph Analysis of Amorphous Nd-Fe Alloys and Relationship with Their Magnetism2018
- Author(s)
  Asako Terasawa, Yoshihiro Gohda
- Organizer
  ACSIN-14 & ICSPM26
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] First-principles prediction of ferromagnetism in MnB and MnC monolayer films on nonmagnetic transition-metal surfaces2018
- Author(s)
  Y. Gohda, S. Nakamura
- Organizer
  ECOSS 34
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] First-Principles Prediction of Giant Rashba Splitting in Bismuth-adsorbed Atomic Nanowires2018
- Author(s)
  T. Tanaka and Y. Gohda
- Organizer
  APS March Meeting
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Ab-initio simulation of Ga-doped Nd-Fe-B magnets2018
- Author(s)
  Yasutomi Tatetsu, Yoshihiro Gohda
- Organizer
  IcAUMS 2018
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 磁性材料の第一原理電子論2018
- Author(s)
  合田義弘
- Organizer
  第28回日本MRS年次大会
- Invited
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Electronic states and magnetic properties around the grain boundary in Nd-Fe-B sintered magnets studied by first-principles calculations2018
- Author(s)
  Yasutomi Tatetsu, Yoshihiro Gohda
- Organizer
  Intermag 2018
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Local magnetic anisotropy analysis on manganese boride ultrathin films on transition-metal surfaces studied by first-principles calculations2018
- Author(s)
  S. Nakamura and Y. Gohda
- Organizer
  APS March Meeting
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] First-principles study on typical elements in Nd2Fe14X (X = B, C, N, O, F)2018
- Author(s)
  Yasutomi Tatetsu, Yosuke Harashima, Takashi Miyake, Yoshihiro Gohda
- Organizer
  ICM2018
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 第一原理計算によるFe/BiFeO3(001)ヘテロ界面における電気磁気結合係数の評価2017
- Author(s)
  藤田一大, 合田義弘
- Organizer
  2017年日本金属学会秋季（161回）講演大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 第一原理計算によるFe/BiFeO3(001)ヘテロ界面における電気磁気結合係数の評価2017
- Author(s)
  藤田一大, 合田義弘
- Organizer
  日本物理学会2017年秋季大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Prediction of ferromagnetism in MnB and MnC on nonmagnetic transition-metal surfaces studied by first-principles calculations2017
- Author(s)
  S. Nakamura and Y. Gohda
- Organizer
  ISSS-8
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 第一原理計算による磁性界面の局所磁気異方性解析2017
- Author(s)
  中村将吾, 相内優太, 合田義弘
- Organizer
  日本物理学会2017年秋季大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] In/Si(111)-4×1表面上のBi原子吸着に関する第一原理計算2017
- Author(s)
  田中友規, 合田義弘
- Organizer
  日本物理学会2017年秋季大会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Estimation of the magnetoelectric coefficient at Fe/BiFeO3(001) heterointerfaces studied by first-principles calculations2017
- Author(s)
  K. Fujita and Y. Gohda
- Organizer
  J. Kanamori Memorial International Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] 第一原理計算によるMnX/TM(001)(X=B,C,N, TM=Ag,Cu,Pt,Ir)の表面電子状態の解明2017
- Author(s)
  中村将吾, 合田義弘
- Organizer
  第37回表面科学学術講演会
- Data Source
  KAKENHI-PROJECT-17K04978
[Presentation] Magnetic anisotropy modified by strain effects in Y2Fe14B2015
- Author(s)
  Y. Gohda, Z. Torbatian, T. Ozaki, and S. Tsuneyuki
- Organizer
  APS March Meeting
- Place of Presentation
  San Antonio, USA
- Year and Date
  2015-03-02
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] 第一原理計算による表面・界面磁性2014
- Author(s)
  合田義弘
- Organizer
  2014年度第1回界面ナノ科学研究会
- Place of Presentation
  愛知県蒲郡市
- Year and Date
  2014-04-11
- Invited
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] First-principles calculations of magnetic anisotropy due to itinerant electrons2014
- Author(s)
  Y. Gohda, Z. Torbatian, T. Ozaki, and S. Tsuneyuki
- Organizer
  59th Annual Magnetism and Magnetic Materials Conference (MMM2014)
- Place of Presentation
  Honolulu, USA
- Year and Date
  2014-11-06
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] First-principles theory on magnetism at interfaces2014
- Author(s)
  Y. Gohda
- Organizer
  Collaborative Conference on Materials Research 2014 (CCMR2014)
- Place of Presentation
  Incheon, Korea
- Year and Date
  2014-06-24
- Invited
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] 1イオン磁気異方性定数の第一原理計算手法開発とY2Fe14Bにおけるひずみ効果への応用2014
- Author(s)
  合田義弘，Z. Torbatian，尾崎泰助，常行真司
- Organizer
  日本物理学会2014年秋季大会
- Place of Presentation
  愛知県春日井市
- Year and Date
  2014-09-07
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] Strain effects on the magnetic anisotropy of Y2Fe14B2014
- Author(s)
  Y. Gohda, Z. Torbatian, T. Ozaki, and S. Tsuneyuki
- Organizer
  E-MRS 2014 Fall Meeting
- Place of Presentation
  Warszawa, Poland
- Year and Date
  2014-09-16
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] ε-Fe2O3の第一原理電子状態解析2014
- Author(s)
  平井大介, 合田義弘, 常行真司
- Organizer
  「コンピューティクスによる物質デザイン：複合相関と非平衡ダイナミクス」平成25年度第二回研究会
- Place of Presentation
  東京大学（東京都）
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] 磁性材料とOpenMX2014
- Author(s)
  合田義弘
- Organizer
  第3回CMSI「京」・HPCIスパコン利用情報交換会
- Place of Presentation
  兵庫県神戸市
- Year and Date
  2014-07-01
- Invited
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] Fe/Cu(001)磁性薄膜の第一原理計算2014
- Author(s)
  立津慶幸, 合田義弘, 常行真司
- Organizer
  「コンピューティクスによる物質デザイン：複合相関と非平衡ダイナミクス」平成25年度第二回研究会
- Place of Presentation
  東京大学（東京都）
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] 焼結永久磁石材料の異相界面2013
- Author(s)
  合田義弘
- Organizer
  第3回大阪大学産業科学研究所共同研究研究会
- Place of Presentation
  メープル有馬 (兵庫県)
- Invited
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 永久磁石材料の微細構造と電子状態2013
- Author(s)
  合田義弘
- Organizer
  第6回JAISTシミュレーション科学セミナー「磁石と構造材料の第一原理シミュレーション」
- Place of Presentation
  JAIST（石川県）
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] Optical conductivity of GaP alloys studied by hybrid-density functional theory2013
- Author(s)
  合田義弘、常行真司
- Organizer
  2013 APS March Meeting
- Place of Presentation
  Baltimore, USA
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] ポテンシャルエネルギー曲面の非調和性を用いた物質構造探索2013
- Author(s)
  遠藤辰哉，合田義弘，常行真司
- Organizer
  日本物理学会第68回年次大会
- Place of Presentation
  広島大学（広島県）
- Year and Date
  2013-03-26
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 永久磁石材料の保磁力・微細構造と磁気異方性2013
- Author(s)
  合田義弘
- Organizer
  物性研究所計算物質科学研究センター第３回シンポジウム「スピン・軌道相互作用の物理における実験・理論・計算」
- Place of Presentation
  東京大学（千葉県）
- Invited
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] 「第一原理に基づくI型クラスレート化合物の格子熱伝導解析」2013
- Author(s)
  只野央将，合田義弘，常行真司
- Organizer
  計算物性物理学の新展開
- Place of Presentation
  東京大学物性研究所（千葉県）
- Year and Date
  2013-01-10
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] ハイブリッド密度汎関数と結晶中電子の局在性2013
- Author(s)
  合田義弘
- Organizer
  「コンピューティクスによる物質デザイン：複合相関と非平衡ダイナミクス」平成25年度第1回研究会
- Place of Presentation
  東京大学（東京都）
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] First-principles study of magnetic anisotropy in Y2Fe14B2013
- Author(s)
  Z. Torbatian、合田義弘、常行真司
- Organizer
  The 12th Asia Pacific Physics Conference (APPC12)
- Place of Presentation
  幕張メッセ（千葉県）
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] ポテンシャル面の非調和性を用いた物質構造探索2013
- Author(s)
  遠藤辰哉，合田義弘，常行真司
- Organizer
  計算材料科学と数学の協働によるスマート材料デザイン手法の探索ー階層構造を解析するー，
- Place of Presentation
  東北大学（宮城県）
- Year and Date
  2013-03-13
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Computational design of nano/energy materials from first principles2013
- Author(s)
  合田義弘
- Organizer
  The Yonsei-Todai Joint Workshop 2013
- Place of Presentation
  東京大学 (東京都)
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 「ハイブリッド密度汎関数理論に基づく擬ポテンシャルの開発とその応用」2013
- Author(s)
  山本良幸、合田義弘、常行真司
- Organizer
  日本物理学会第68回年次大会
- Place of Presentation
  広島大学（広島県）
- Year and Date
  2013-03-27
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 「I型クラスレート化合物におけるフォノン伝導特性の第一原理計算」2013
- Author(s)
  只野央将，合田義弘，常行真司
- Organizer
  日本物理学会第68回年次大会
- Place of Presentation
  広島大学（広島県）
- Year and Date
  2013-03-26
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] GaN結晶成長に伴うグラフェンの構造相転移2012
- Author(s)
  合田義弘、常行真司
- Organizer
  日本物理学会2012年秋季大会
- Place of Presentation
  横浜国立大学 (神奈川県)
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 「固液界面の電気二重層キャパシタンスに関する第一原理計算」2012
- Author(s)
  安藤康伸、合田義弘、常行真司
- Organizer
  日本物理学会2012年秋季大会
- Place of Presentation
  横浜国立大学（神奈川県）
- Year and Date
  2012-09-20
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] First-principles predictions on properties of nano/energy materials2012
- Author(s)
  Y. Gohda
- Organizer
  Collaborative Conference on Materials Research (CCMR2012)
- Place of Presentation
  Seoul, Korea(招待講演)
- Year and Date
  2012-06-27
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 第一原理非調和格子モデルを用いたナノワイヤの熱伝導率計算2012
- Author(s)
  只野央将, 合田義弘, 常行真司
- Organizer
  日本物理学会2011年秋季大会
- Place of Presentation
  富山大学、富山市
- Year and Date
  2012-09-24
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 「hybrid密度汎関数理論に基づく擬ポテンシャルの開発」2012
- Author(s)
  山本良幸、合田義弘、常行真司
- Organizer
  日本物理学会2012年秋季大会
- Place of Presentation
  横浜国立大学（神奈川県）
- Year and Date
  2012-09-19
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Ab-InitioIdentification of a New Structure ofGraphene Induced by GaN Epitaxy2012
- Author(s)
  Y. Gohda and S. Tsuneyuki
- Organizer
  2012 MRS Fall Meeting
- Place of Presentation
  Boston, USA
- Year and Date
  2012-11-27
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] New phase of graphene at interfaces with GaN2012
- Author(s)
  合田義弘、常行真司
- Organizer
  International Symposium on Computics: Quantum Simulations and Design (ISC-QSD)
- Place of Presentation
  大阪大学 (大阪府)
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 「超伝導密度汎関数理論による軽元素超伝導体の第一原理計算」2012
- Author(s)
  河村光晶，合田義弘，常行真司
- Organizer
  日本物理学会2012年秋季大会
- Place of Presentation
  横浜国立大学（神奈川県）
- Year and Date
  2012-09-18
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] "Atomistic studies on the reduced thermal conductivity of a thermoelectric clathrate {Ba}$_{8}$Ga$_{16}$Sn$_{30}$, "2012
- Author(s)
  T. Tadano, Y. Gohda and S. Tsuneyuki
- Organizer
  ISC-QSD,
- Place of Presentation
  大阪大学（大阪府）
- Year and Date
  2012-10-12
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] "New Application of Tetrahedron Method for Brillouin-Zone Integrations: Calculations of Phonons in Metal, "2012
- Author(s)
  Mitsuaki Kawamura, Yoshihiro Gohda, and Shinji Tsuneyuki:
- Organizer
  GCOE International Symposium on Physical Sciences Frontier,
- Place of Presentation
  東京大学本郷キャンパス（東京都）
- Year and Date
  2012-12-08
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] First-principles interface science: structures and electronic states2012
- Author(s)
  合田義弘
- Organizer
  Material simulation in petaflops era (MASP2012)
- Place of Presentation
  東京大学物性研究所 (千葉県)
- Invited
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] "First-principles studies on vibrational and transport properties of phonons in thermoelectric clathrates {Ba}$_{8}${Ga}$_{16}${X}$_{30}$({X}={Ge, Sn}) "2012
- Author(s)
  T. Tadano, Y. Gohda and S. Tsuneyuki:
- Organizer
  ASIAN-15,
- Place of Presentation
  Taiwan,Taipei
- Year and Date
  2012-11-06
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Effects of impurity hydrogen in rutile TiO$_2$ :2012
- Author(s)
  K. Yoshizawa, Y. Iwazaki, Y. Gohda and S. Tsuneyuki:
- Organizer
  "Density-functional calculation, ISC-QSD, "
- Place of Presentation
  大阪大学（大阪府）
- Year and Date
  2012-10-12
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] "Ab initio prediction of superconducting transition temperatures based on SCDFT International Symposium on Computics: "2012
- Author(s)
  Mitsuaki Kawamura, Yoshihiro Gohda, and Shinji Tsuneyuki
- Organizer
  Quantum Simulation and Design (ISC-QSD),
- Place of Presentation
  大阪大学（大阪府）
- Year and Date
  2012-10-12
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] First-principles predictions of graphene structure governed by GaN epitaxy2012
- Author(s)
  Y. Gohda and S. Tsuneyuki
- Organizer
  International Conference on Solid Films and Surfaces (ICSFS16)
- Place of Presentation
  Genova, Italy.
- Year and Date
  2012-07-02
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] First-principles predictions on properties of nano/energy materials2012
- Author(s)
  合田義弘
- Organizer
  Collaborative Conference on Materials Research (CCMR2012)
- Place of Presentation
  Seoul, Korea
- Invited
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] First-principles predictions of graphene structure governed by GaN epitaxy2012
- Author(s)
  合田義弘、常行真司
- Organizer
  International Conference on Solid Films and Surfaces (ICSFS16)
- Place of Presentation
  Genova, Italy
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 窒化物半導体との界面におけるグラフェンの構造相転移2012
- Author(s)
  合田義弘、常行真司
- Organizer
  文科省科研費新学術領域「コンピューティクスによる物質デザイン:複合相関と非平衡ダイナミクス」平成24年度研究会
- Place of Presentation
  東京大学(文京区)
- Year and Date
  2012-03-17
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Ab-Initio Identification of a New Structure of Graphene Induced by GaN Epitaxy2012
- Author(s)
  合田義弘、常行真司
- Organizer
  2012 MRS Fall Meeting
- Place of Presentation
  Boston, USA
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] "First-principles studies on the reduced thermal conductivity of a clathrate {Ba}$_{8}${Ga}$_{16}${Sn}$_{30}$, "2012
- Author(s)
  T. Tadano, Y. Gohda and S. Tsuneyuki:
- Organizer
  CCP2012,
- Place of Presentation
  ニチイ学館（兵庫県）
- Year and Date
  2012-10-15
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 超球面探索法と力場反転法による構造探索2012
- Author(s)
  遠藤辰哉，合田義弘，常行真司
- Organizer
  日本物理学会2012年秋季大会
- Place of Presentation
  横浜国立大学（神奈川県）
- Year and Date
  2012-09-18
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 窒化物半導体界面の構造と磁性2012
- Author(s)
  合田義弘、常行真司
- Organizer
  超低速ミュオン顕微鏡が拓く物質・生命・素粒子科学のフロンティア第1回領域会議
- Place of Presentation
  ホテル春日居(笛吹市)
- Year and Date
  2012-01-09
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Development of numerical codes for ab initio prediction of superconducting transition temperature,2012
- Author(s)
  Mitsuaki Kawamura, Yoshihiro Gohda, and Shinji Tsuneyuki
- Organizer
  "ISSP-CMSI international symposium of Materiel Simulation in Petaflops era(MASP2012) "
- Place of Presentation
  東京大学物性研究所（千葉県）
- Year and Date
  2012-07-12
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Structural phase transition of graphene caused by GaN epitaxy predicted by ab-initio calculations2012
- Author(s)
  合田義弘、常行真司
- Organizer
  Graphene Nanoscience: from Dirac Physics to Applications
- Place of Presentation
  Granada, Spain
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 第一原理分子動力学計算による電気二重層キャパシタンスの非経験的評価2012
- Author(s)
  安藤康伸, 合田義弘, 常行真司
- Organizer
  物性研究所共同利用スパコン成果報告会
- Place of Presentation
  東京大学、文京区
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 窒化物半導体成長によるグラフェンの構造相転移2012
- Author(s)
  合田義弘、常行真司
- Organizer
  次世代ナノ統合シミュレーションソフトウェアの研究開発第6回公開シンポジウム
- Place of Presentation
  ニチイ学館(神戸市)
- Year and Date
  2012-03-06
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] "Anharmonic force constants from first-principles molecular dynamics simulations: "2012
- Author(s)
  T. Tadano, Y. Gohda and S. Tsuneyuki
- Organizer
  "Applications to lattice thermal conductivity calculations, MASP2012, "
- Place of Presentation
  東京大学物性研究所（千葉県）
- Year and Date
  2012-07-12
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] First-principles interface science: structures and electronic states2012
- Author(s)
  Y. Gohda
- Organizer
  Material simulation in petaflops era (MASP2012)
- Place of Presentation
  東京大学物性研究所(千葉県)(招待講演)
- Year and Date
  2012-07-12
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 窒化ガリウムのエピタキシャル成長に伴うグラフェンの圧力誘起構造相転移2012
- Author(s)
  合田義弘、常行真司
- Organizer
  計算科学の課題と展望
- Place of Presentation
  東京大学(文京区)
- Year and Date
  2012-02-20
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Ab initio molecular dynamics study of the electric double-layer capacitance at solution-electrode interfaces2012
- Author(s)
  安藤康伸, 合田義弘, 常行真司
- Organizer
  American Physical Society March meeting
- Place of Presentation
  Boston, USA
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Structural exploration Utilizing Anharmonicity of Potential Energy Surfaces,2012
- Author(s)
  T. Endo, Y. Gohda, S. Tsuneyuki:
- Organizer
  15th Asian Workshop on FIrst-Principles Electronic Structure Calculations,
- Place of Presentation
  Taipei,Taiwan
- Year and Date
  2012-11-05
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 「熱電変換材料におけるフォノン伝導特性の第一原理計算」，2012
- Author(s)
  只野央将，合田義弘，常行真司
- Organizer
  日本物理学会2012年秋季大会
- Place of Presentation
  横浜国立大学（神奈川県）
- Year and Date
  2012-09-19
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 第一原理計算による希薄窒化物GaNPの光学伝導度2012
- Author(s)
  合田義弘、常行真司
- Organizer
  日本物理学会第67回年次大会
- Place of Presentation
  関西学院大学(西宮市)
- Year and Date
  2012-03-26
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Ab Initio Prediction of Superconducting TC: with Accurate Calculation of Phonons,2012
- Author(s)
  Mitsuaki Kawamura, Yoshihiro Gohda, and Shinji Tsuneyuki:
- Organizer
  15th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-15),
- Place of Presentation
  Taipei,Taiwan
- Year and Date
  2012-11-06
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Structural phase transition of graphene caused by GaN epitaxy predicted by ab-initiocalculations2012
- Author(s)
  Y. Gohda and S. Tsuneyuki
- Organizer
  Graphene Nanoscience: from Dirac Physics to Applications
- Place of Presentation
  Granada, Spain.
- Year and Date
  2012-09-12
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 非磁性元素界面における磁性の可能性2012
- Author(s)
  合田義弘、常行真司
- Organizer
  日本物理学会2011年秋季大会
- Place of Presentation
  富山大学(富山市)
- Year and Date
  2012-09-23
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Intrinsic ferromagnetism at AlN-MgB2 interfaces2011
- Author(s)
  Y.Gohda, S.Tsuneyuki
- Organizer
  2011 APS March Meeting
- Place of Presentation
  Dallas, USA
- Year and Date
  2011-03-22
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Intrinsic ferromagnetism at AlN-MgB2 interfaces2011
- Author(s)
  Y. Gohda and S. Tsuneyuki
- Organizer
  2011 APS March Meeting
- Place of Presentation
  Dallas, USA.
- Year and Date
  2011-03-22
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Possibility of two-dimensional ferromagnetism at nitride-boride interfaces2011
- Author(s)
  Y.Gohda, S.Tsuneyuki
- Organizer
  The 13th International Conference on the Formation of Semiconductor Interfaces (ICFSI-13)
- Place of Presentation
  Praha, Czech Republic
- Year and Date
  2011-07-05
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 非磁性元素界面における磁性の可能性2011
- Author(s)
  合田義弘、常行真司
- Organizer
  日本物理学会2011年秋季大会
- Place of Presentation
  富山大学(富山県)
- Year and Date
  2011-09-23
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Possibility of two-dimensional ferromagnetism at nitride-boride interfaces2011
- Author(s)
  合田義弘、常行真司
- Organizer
  The 13th International Conference on the Formation of Semiconductor Interfaces (ICFSI-13)
- Place of Presentation
  Praha, Czech Republic
- Year and Date
  2011-07-05
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Non-equilibrium heat transfer simulation with first-principles anharmonic lattice model2011
- Author(s)
  只野央将, 合田義弘, 常行真司
- Organizer
  7th US-Japan Joint Seminar on Nanoscale Transport Phenomena
- Place of Presentation
  三重県、志摩市
- Year and Date
  2011-12-12
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 窒化物/ホウ化物界面のスピン物性の第一原理計算2011
- Author(s)
  合田義弘、常行真司
- Organizer
  次世代ナノ統合シミュレーションソフトウェアの研究開発第5回公開シンポジウム
- Place of Presentation
  甲南大学
- Year and Date
  2011-02-23
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Possibility of two-dimensional ferromagnetism at nitride-boride interfaces2011
- Author(s)
  Y. Gohda and S. Tsuneyuki
- Organizer
  The 13th International Conference on the Formation of Semiconductor Interfaces (ICFSI-13)
- Place of Presentation
  Praha, Czech Republic.
- Year and Date
  2011-07-05
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] First-principles study of the electric double-layer capacitance of water/Al interfaces2011
- Author(s)
  安藤康伸, 合田義弘, 常行真司
- Organizer
  The 13th International Conference on the Formation of Semiconductor Interfaces (ICFSI-13)
- Place of Presentation
  Praha, Czech Republic
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Magnetism at interfaces consisting of nonmagnetic2011
- Author(s)
  Y. Gohda and S. Tsuneyuki
- Organizer
  International Focus Workshop on Quantum Simulations and Design (QSD2011)
- Place of Presentation
  Dresden, Germany.
- Year and Date
  2011-09-27
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Intrinsic ferromagnetism at AlN-MgB_2 interfaces2011
- Author(s)
  Y.Gohda, S.Tsuneyuki
- Organizer
  American Physical Society March Meeting
- Place of Presentation
  Dallas, TX, USA
- Year and Date
  2011-03-22
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Structure and electronic properties of nitride interfaces2011
- Author(s)
  Y.Gohda, S.Tsuneyuki
- Organizer
  The 14th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN14)
- Place of Presentation
  Tokyo, Japan
- Year and Date
  2011-11-01
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Magnetism at interfaces consisting of nonmagnetic materials2011
- Author(s)
  合田義弘、常行真司
- Organizer
  International Focus Workshop on Quantum Simulations and Design (QSD2011)
- Place of Presentation
  Dresden, Germany
- Year and Date
  2011-09-27
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] First-principles study of the electric double-layer capacitance at water-graphene interfaces2011
- Author(s)
  安藤康伸, 合田義弘, 常行真司
- Organizer
  The 14th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN14)
- Place of Presentation
  東京大学、文京区
- Year and Date
  2011-11-01
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 水-金属界面系の電気二重層キャパシタンスに関する第一原理計算2011
- Author(s)
  安藤康伸, 合田義弘, 常行真司
- Organizer
  日本物理学会2011年秋季大会
- Place of Presentation
  富山大学、富山市
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 窒化物界面における遍歴強磁性の第一原理計算2011
- Author(s)
  合田義弘、常行真司
- Organizer
  日本金属学会2011年度秋季大会
- Place of Presentation
  沖縄コンベンションセンター宜野湾市
- Year and Date
  2011-11-08
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Lattice thermal conductivity with first-principles anharmonic lattice model2011
- Author(s)
  T.Tadano, Y.Gohda, S.Tsuneyuki
- Organizer
  American Physical Society March Meeting
- Place of Presentation
  Dallas, TX, USA
- Year and Date
  2011-03-21
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Structure and electronic properties of nitride interfaces2011
- Author(s)
  合田義弘、常行真司
- Organizer
  The 14th Asian Workshop on First-Priniples Electronic Structure Calculation (ASIAN14)
- Place of Presentation
  東京大学、文京区
- Year and Date
  2011-11-01
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 窒化物界面における遍歴強磁性の第一原理計算2011
- Author(s)
  合田義弘、常行真司
- Organizer
  日本金属学会2011年度秋季大会
- Place of Presentation
  沖縄コンベンションセンター(宜野湾市)
- Year and Date
  2011-11-08
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 第一原理計算による窒化物/ホウ化物界面のスピン物性2011
- Author(s)
  合田義弘、常行真司
- Organizer
  日本物理学会第66回年次大会
- Place of Presentation
  新潟大学
- Year and Date
  2011-03-28
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Thermal conductivity calculations of semiconductors from first-principles anharmonic lattice model2011
- Author(s)
  只野央将, 合田義弘, 常行真司
- Organizer
  The 14th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN14)
- Place of Presentation
  東京大学、文京区
- Year and Date
  2011-11-01
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Magnetism at interfaces consisting of nonmagnetic materials2011
- Author(s)
  Y.Gohda, S.Tsuneyuki
- Organizer
  International Focus Workshop on Quantum Simulations and Design (QSD2011)
- Place of Presentation
  Dresden, Germany
- Year and Date
  2011-09-27
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Interface atomic structures and electronic properties of group-III nitrides2010
- Author(s)
  Y.Gohda, S.Tsuneyuki
- Organizer
  Psi-k Conference 2010
- Place of Presentation
  Berlin, Germany
- Year and Date
  2010-09-13
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] First-principles calculations on spin polarization of vacancies in nitride semiconductors2010
- Author(s)
  Y.Gohda, A.Oshiyama
- Organizer
  30th International Conference on the Physics of Semiconductors (ICPS-30)
- Place of Presentation
  Seoul, Korea
- Year and Date
  2010-10-26
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] First-principles calculations on metal-induced gap states at metal-semiconductor interfaces2010
- Author(s)
  Y. Gohda and S. Tsuneyuki
- Organizer
  2010 APS March Meeting
- Place of Presentation
  Portland, USA.
- Year and Date
  2010-03-18
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] First-principles calculations on metal-inducedgap states at metal-semiconductor interfaces2010
- Author(s)
  合田義弘
- Organizer
  2010 APS March Meeting
- Place of Presentation
  Portland, USA
- Year and Date
  2010-03-18
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 第一原理非調和格子モデルによる格子熱伝導計算2010
- Author(s)
  只野央将, 合田義弘、常行真司
- Organizer
  日本物理学会2010年秋季大会
- Place of Presentation
  大阪府立大学
- Year and Date
  2010-09-26
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Interface atomic structures and electronic properties of group-III nitrides2010
- Author(s)
  Y. Gohda and S. Tsuneyuki
- Organizer
  Psi-k Conference 2010
- Place of Presentation
  Berlin, Germany.
- Year and Date
  2010-09-13
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Interface atomic structures and electronic properties of group-III nitrides2010
- Author(s)
  Y.Gohda, S.Tsuneyuki
- Organizer
  Psi-k Conference 2010
- Place of Presentation
  Berlin, Germany
- Year and Date
  2010-09-13
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Structural bistability and spin polarization of multi-vacancies in GaN identified by first-principles calculations2009
- Author(s)
  合田義弘
- Organizer
  25th International Conference on Defects in Semiconductors
- Place of Presentation
  Sankt-Peterburg, Russia
- Year and Date
  2009-07-20
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] Structural bistability and spin polarization of multi-vacancies in GaN identified by first-principles calculations2009
- Author(s)
  Y. Gohda and A. Oshiyama
- Organizer
  25th International Conference on Defects in Semiconductors
- Place of Presentation
  Sankt-Peterburg, Russia.
- Year and Date
  2009-07-20
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 窒化物半導体/ホウ素化合物界面の第一原理計算2009
- Author(s)
  合田義弘
- Organizer
  日本物理学会2009年秋季大会
- Place of Presentation
  熊本大学(熊本市)
- Year and Date
  2009-09-25
- Data Source
  KAKENHI-PROJECT-21710102
[Presentation] 半導体における高次フォノン散乱効果の理論解析
- Author(s)
  只野央将，合田義弘，常行真司
- Organizer
  日本物理学会2013年秋季大会
- Place of Presentation
  徳島大学・常三島キャンパス（徳島県）
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Magnetic anisotropy induced by itinerant electrons in Y2Fe14B
- Author(s)
  Y. Gohda, Z. Torbatian, T. Ozaki, and S. Tsuneyuki
- Organizer
  International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
- Place of Presentation
  Tokyo, Japan
- Year and Date
  2014-12-01 – 2014-12-03
- Data Source
  KAKENHI-PUBLICLY-25104705
[Presentation] 線形応答計算に現れる Brillouin 領域積分のための改良テトラへドロン法の開発
- Author(s)
  河村光晶, 合田義弘, 常行真司
- Organizer
  日本物理学会2013年度秋季大会
- Place of Presentation
  徳島大学・常三島キャンパス（徳島県）
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] First-principles study of anharmonic phonon lifetimes in thermoelectric materials
- Author(s)
  T. Tadano, Y. Gohda and S. Tsuneyuki
- Organizer
  The 16th Asian Workshop on First-Principles Electronic Structure Calculations
- Place of Presentation
  Beijing Computatiomal Science Research Center (China)
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 改良テトラへドロン-Brillouin 領域積分法による金属中のフォノンの第一原理計算
- Author(s)
  河村光晶, 合田義弘, 常行真司
- Organizer
  科研費新学術研究「コンピューティクスによる物質デザイン：複合相関と非平衡ダイナミクス」平成25年度研究会
- Place of Presentation
  東京大学（東京都）
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] 熱電材料I型クラスレートにおけるフォノン－フォノン相互作用の体積依存性
- Author(s)
  只野央将，合田義弘，常行真司
- Organizer
  科研費新学術研究「コンピューティクスによる物質デザイン：複合相関と非平衡ダイナミクス」平成25年度研究会
- Place of Presentation
  東京大学（東京都）
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] An ab initio study of the effect of host-guest interaction on thermal transport in Ba8Ga16Ge30
- Author(s)
  T. Tadano, Y. Gohda and S. Tsuneyuki
- Organizer
  APS March meeting 2014
- Place of Presentation
  Colorado Convention Center (USA)
- Data Source
  KAKENHI-PLANNED-22104006
[Presentation] Improved tetrahedron method for the Brillouin-zone integration applicable to DFPT calculations
- Author(s)
  M. Kawamura, Y. Gohda and S. Tsuneyuki
- Organizer
  International Symposium on Computics: Quantum Simulation and Design (ISC-QSD 2014)
- Place of Presentation
  東京大学（東京都文京区）
- Year and Date
  2014-12-01 – 2014-12-03
- Data Source
  KAKENHI-PLANNED-22104006

1. TSUNEYUKI Shinji (90197749)

# of Collaborated Projects: 1 results

# of Collaborated Products: 51 results
2. OTANI Minoru (50334040)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. YOSHIMOTO Yoshihide (80332584)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. YAMAUCHI Jun (90383984)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. NAKAYAMA Takashi (70189075)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. SUGINO Osamu (90361659)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. MORIKAWA Yoshitada (80358184)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. AKAGI Kazuto (50313119)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. TATEYAMA Yoshitaka (70354149)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. SUWA Yuji (20216500)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. OZAKI Taisuke

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Gohda Yoshihiro 合田 義弘

GOHDA Yoshihiro 合田 義弘

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Electron theory of phase equilibria considering lattice vibrations in disorder phasesPrincipal Investigator

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Electron theory on magnetic elements and heavy elements in nanostructuresPrincipal Investigator

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磁性金属におけるハイブリッド密度汎関数理論の新展開Principal Investigator

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Studies on Structure Sampling and Non-Equilibrium Dynamics Using Ab-Initio Molecular Dynamics Methods

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Control of spin properties at nitride-semiconductor interfacesPrincipal Investigator

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[Book] 次世代永久磁石の開発最前線「第一原理計算による永久磁石材料の局所磁性」2019

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[Book] シミュレーション辞典、項目「GaN中不純物のシミュレーション」2012

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[Book] シミュレーション辞典・項目「GaN 中不純物のシミュレーション」2012

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[Book] シミュレーション辞典、項目(「GaN中不純物のシミュレーション」)2011

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[Journal Article] First-principles determination of intergranular atomic arrangements and magnetic properties in rare-earth permanent magnets2021

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[Journal Article] First-principles calculations on high-temperature desorption loss from iridium2020

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[Journal Article] First-principles study on surface stability and interface magnetic properties of SmFe122020

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[Journal Article] First-principles study of the adsorption of 3d transition metals on BaO- and TiO2-terminated cubic-phase BaTiO3(001) surfaces2020

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[Journal Article] First-Principles Study of Magnetism-Dependent Phonons Governed by Exchange Ligand Field2020

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Gohda Yoshihiro 合田義弘

GOHDA Yoshihiro 合田義弘